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Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)-

PubChem CID: 10223

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Compound Synonyms Cadina-1(10),4-diene, 16729-01-4, 4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene, 1-Isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene, delta-Amorphene, (+)-delta-amorphene, (+)-?-Cadinene, Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)-, CHEBI:140564, D-Amorphene, 4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene, cadinene (delta-), rel-(1R,8aS)-1-isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene, DTXSID60862005, DTXSID80274505, FUCYIEXQVQJBKY-UHFFFAOYSA-N, AAA48376
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 15.0
Description A cadinene (FDB009046) of the delta-serie [FooDB]
Isotope Atom Count 0.0
Molecular Complexity 304.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene
Prediction Hob 0.0
Class Prenol lipids
Xlogp 3.8
Superclass Lipids and lipid-like molecules
Subclass Sesquiterpenoids
Molecular Formula C15H24
Prediction Swissadme 0.0
Inchi Key FUCYIEXQVQJBKY-UHFFFAOYSA-N
Fcsp3 0.7333333333333333
Logs -4.43
Rotatable Bond Count 1.0
Logd 1.766
Synonyms 1(10),4-Cadinadiene, Cadina-1(10),4-diene, Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, 4,7-Dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene, 4,7-Dimethyl-1-isopropyl-1,2,3,5,6,8a-hexahydronaphthalene, Δ-amorphene, (+)-delta-Amorphene, D-Amorphene, Δ-cadinene
Compound Name Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)-
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 204.188
Formal Charge 0.0
Monoisotopic Mass 204.188
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 204.35
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic homopolycyclic compounds
Esol -3.4350134
Inchi InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3
Smiles CC1=CC2C(CCC(=C2CC1)C)C(C)C
Nring 4.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Sesquiterpenoids